AuraOne
Domain Lab

Reactions don't get second chances. Plan them right.
Your routes need hazard checks before the bench. AI ranks every option. You get audit-ready artifacts.
For process chemistry teams where a failed route costs six figures.

Paste SMILES or upload SDF. AI generates ranked retrosynthesis routes with cost, risk, and feasibility scoring. Results ship with 21 CFR Part 11 audit artifacts.

Your first run

One target molecule. Ranked routes in minutes. First audit artifact same day.

AI LabsRegression BankControl Center
Accepted formats
SMILES / SDF / MOL

Paste a SMILES string or upload structure files your team already has.

Compliance framework
21 CFR Part 11

Audit artifacts structured for regulated submissions.

Pre-built agent
reaction-planner

Retrosynthesis ranking, hazard flagging, and condition suggestion.

Focus Areas

What this lab is built for.

Surfaces designed for scientists, operators, and executives. Every output is versioned with provenance so no work is lost.

Retrosynthesis

From target to ranked steps.

  • Generate ranked synthesis routes with reagent constraints
  • Overlay estimated cost, availability, and risk per step
  • Export plans into lab systems and SOP workflows

Reaction Intelligence

Predict yield before the bench.

  • Reaction outcome and condition suggestions per route
  • Uncertainty-aware recommendations for edge cases
  • Expert review routed for high-impact decisions

Safety & Compliance

Hazard flags by default.

  • Hazard flags, reagent controls, and audit trails on every route
  • 21 CFR Part 11 evidence packs for regulated submissions
  • Regression Bank gates to prevent silent failures
Signature Workflow

How Chemistry runs.

Automated evaluation. Expert routing. Regression-tested releases.

Step 1

Describe

Define the target molecule.

  • Paste SMILES or upload SDF/MOL files
  • Attach constraints (reagents, steps, budget)
  • Record yield and purity requirements
Step 2

Plan

Get ranked routes.

  • Retrosynthesis with cost/risk/feasibility scoring
  • Condition suggestions and hazard overlays per step
  • Side-by-side comparison of alternative plans
Step 3

Release

Promote only proven routes.

  • Capture bench outcomes and yields as evidence
  • Improve route ranking based on your lab results
  • Export 21 CFR Part 11 audit artifacts on demand

Overview

Paste a SMILES string or upload an SDF file and get ranked retrosynthesis routes with hazard flags before anything reaches the bench. AuraOne Chemistry scores each route on cost, risk, and feasibility — then packages decisions into 21 CFR Part 11 audit artifacts.

Chemistry capsule

Your routes need hazard checks before the bench. AI ranks every option. You get audit-ready artifacts.

  • Paste SMILES or upload SDF. AI generates ranked retrosynthesis routes with cost, risk, and feasibility scoring. Results ship with 21 CFR Part 11 audit artifacts.
  • SMILES / SDF / MOL Accepted formats
  • Focus: Retrosynthesis
  • Workflow: Describe

Plan with guardrails

Generate routes with constraints, then promote only the ones that survive real bench outcomes. Every assumption is recorded. Every decision is reviewable.

Chemistry capsule

Your routes need hazard checks before the bench. AI ranks every option. You get audit-ready artifacts.

  • Paste SMILES or upload SDF. AI generates ranked retrosynthesis routes with cost, risk, and feasibility scoring. Results ship with 21 CFR Part 11 audit artifacts.
  • SMILES / SDF / MOL Accepted formats
  • Focus: Retrosynthesis
  • Workflow: Describe

Own the learning loop

As chemists confirm outcomes and hazards, your program accumulates more defensible evidence and regression coverage. The result is a clearer path from proposal to promotion, without losing context between tools.

Chemistry capsule

Your routes need hazard checks before the bench. AI ranks every option. You get audit-ready artifacts.

  • Paste SMILES or upload SDF. AI generates ranked retrosynthesis routes with cost, risk, and feasibility scoring. Results ship with 21 CFR Part 11 audit artifacts.
  • SMILES / SDF / MOL Accepted formats
  • Focus: Retrosynthesis
  • Workflow: Describe

Proof hooks

Evidence that stays attached

This is what the system is designed to record for Chemistry workflows. Metrics and outcomes depend on your deployment and must be validated in staging and production.

21 CFR Part 11
Audit artifacts linking routes, constraints, and reviewer decisions.
Hazard flags
Safety checks and reagent controls with provenance on every route.
Route provenance
Synthesis plans, bench outcomes, and reviewer decisions stay linked.
Want the security and evidence model? Start in the Trust Center.
Visit Trust Center

Start your Chemistry Lab.

One session. First lab running.